MolNFT v1 · #169610 · protein
Covalent complex of SARS-cov main protease with 4-methoxy-N-[(2S)-4- methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-YL]BUTAN-2- YL}AMINO)PENTAN-2-yl]-1H-indole-2-carboxamide
6XHN: “Covalent complex of SARS-cov main protease with 4-methoxy-N-[(2S)-4…”. X-ray diffraction, 1 ligand (V3D). MolNFT v1 #169610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6XHN
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0C6U8
- Ligands
- V3D
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | P0C6U8 |
| B | — | protein | 300 | — | P0C6U8 |
Ligands and binding sites
- V3D · (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6XHN · Covalent complex of SARS-CoV main protease with… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0C6U8
- Elsewhere: RCSB PDB 6XHN · PDBe 6XHN · UniProt P0C6U8
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